(Z)-2-[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-2-hydroxyethenediazonium

C10H8BrN2O2+ — CID 11780485

IUPAC(Z)-2-[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-2-hydroxyethenediazonium
SMILESN#[N+]/C=C(\O)[C@@H]1O[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C10H7BrN2O2/c11-7-3-1-6(2-4-7)9-10(15-9)8(14)5-13-12/h1-5,9-10H/p+1/b8-5-/t9-,10-/m0/s1
InChIKeyBOTDIISRJCXVTK-VAJAEUGUSA-O
MW268.09 g/mol
LogP3.14
Rot. Bonds2

About (Z)-2-[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-2-hydroxyethenediazonium

(Z)-2-[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-2-hydroxyethenediazonium (PubChem CID 11780485) has the molecular formula C10H8BrN2O2+ and a molecular weight of 268.09 g/mol. Its IUPAC name is (Z)-2-[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-2-hydroxyethenediazonium.

Molecular Properties

Compound Name(Z)-2-[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-2-hydroxyethenediazonium
PubChem CID11780485
Molecular FormulaC10H8BrN2O2+
Molecular Weight268.09 g/mol
Exact Mass266.98
IUPAC Name(Z)-2-[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-2-hydroxyethenediazonium
SMILESN#[N+]/C=C(\O)[C@@H]1O[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C10H7BrN2O2/c11-7-3-1-6(2-4-7)9-10(15-9)8(14)5-13-12/h1-5,9-10H/p+1/b8-5-/t9-,10-/m0/s1
InChIKeyBOTDIISRJCXVTK-VAJAEUGUSA-O
XLogP3.14
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.09
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-2-hydroxyethenediazonium?
The IUPAC name of (Z)-2-[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-2-hydroxyethenediazonium (CID 11780485) is (Z)-2-[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-2-hydroxyethenediazonium.
What is the SMILES notation for (Z)-2-[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-2-hydroxyethenediazonium?
The canonical SMILES for (Z)-2-[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-2-hydroxyethenediazonium is N#[N+]/C=C(\O)[C@@H]1O[C@H]1c1ccc(Br)cc1.
What is the InChIKey of (Z)-2-[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-2-hydroxyethenediazonium?
The InChIKey is BOTDIISRJCXVTK-VAJAEUGUSA-O. The full InChI is InChI=1S/C10H7BrN2O2/c11-7-3-1-6(2-4-7)9-10(15-9)8(14)5-13-12/h1-5,9-10H/p+1/b8-5-/t9-,10-/m0/s1.
What are the key properties of (Z)-2-[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-2-hydroxyethenediazonium?
(Z)-2-[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-2-hydroxyethenediazonium has a molecular weight of 268.09 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-2-hydroxyethenediazonium is sourced from PubChem (CID 11780485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).